[Wien] Error message during scf calculation

Gavin Abo gsabo at crimson.ua.edu
Wed Mar 25 19:44:21 CET 2015


In the same terminal that you use to run siteconfig, what do you get as 
output when you enter:

head -n 1 /opt/intel/composer_xe_2013.0.079/mkl/include/mkl_vml.fi

On 3/25/2015 12:01 PM, farouk boutaiba wrote:
> I have change -L to -Ias you told me  
> "-I/opt/intel/composer_xe_2013.0.079/mkl/include"
> after $(FOPT) in the Linker Flags, but after compilation i have the same message error.
> thank you sir
> /  BOUTAIBA Farouk
> //  Department of Physics
> //  Faculty of Science
> //  University of Science and Technology of Oran
> //  P.O.Box: 1505 El M'Naouer
> //  31000 Oran//Algeria/  
>
>
>
>
> Le Mercredi 25 mars 2015 14h43, farouk boutaiba <boutaiba_f at yahoo.fr> 
> a écrit :
>
>
> I have used wien2k 2014, but diring compilation a got these message:
> compilation aborted for W2kinit_tmp.F (code 1)
> make[1]: *** [W2kinit.o] Erreur 1
> make[1] : on quitte le répertoire « /root/wien2k_14/SRC_vecpratt »
> make: *** [real] Erreur 2
>
> and after compilation i have this message:
> Compile time errors (if any) were:
> SRC_hf/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_hf/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_mixer/compile.msg:W2kinit.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_vecpratt/compile.msg:W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_vecpratt/compile.msg:W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> Thank for your help
>
> /  BOUTAIBA Farouk
> //  Department of Physics
> //  Faculty of Science
> //  University of Science and Technology of Oran
> //  P.O.Box: 1505 El M'Naouer
> //  31000 Oran//Algeria/  
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